1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrrole-3-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]pyrrole-3-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]pyrrole-3-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]pyrrole-3-carboxylic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC(=C2)C(=O)O

InChI

InChI=1S/C22H29NO4/c1-2-3-4-5-6-7-8-18-9-11-21(12-10-18)27-17-20(24)16-23-14-13-19(15-23)22(25)26/h9-15H,2-8,16-17H2,1H3,(H,25,26)